3-nonaprenyl-4-hydroxybenzoate

Chemical Formula:

C₅₂H₇₇O₃

Molecular Weight:

750.178 Daltons

Monoisotopic Mass:

750.5950963701 Daltons

SMILES:

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C

InChI:

1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/p-1/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+

InChIKey:

YKKKMRBEPIZPBH-XWEAJCOCSA-M

Synonyms

3-solanesyl-4-hydroxybenzoate
nonaprenyl-4-hydroxybenzoic acid
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester

Databases

MetaCyc: NONAPRENYL-4-HYDROXYBENZOATE

ChEBI: 84502

HMDB: HMDB32488

PubChem (CID): 54746221

KEGG: C03885

MetaNetX: MNXM2847